SCHEMBL916993

SCHEMBL916993

COc1cc(OC)c(CO)c(CN2CCNCC2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45
SLC6A4 P31645 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
APOBEC3A P31941 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
DDR1 Q08345 1/20 0.40
FGFR1 P11362 1/20 0.39
FGFR3 P22607 1/20 0.39
PDE10A Q9Y233 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM3 P20309 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL918505 0.83 MEN1 (0.37) MEN1ALDH1A1KMT2AKDM4ECD274
SCHEMBL916890 0.77 CYP1A2 (0.50) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL14252518 0.76 ADRB1 (0.53) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL19869933 0.75 CYP1A2 (0.50) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL14870361 0.72 CYP1A2 (0.48) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL917787 0.71 CYP1A2 (0.54) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL13427885 0.71 DDR1 (0.48) CYP1A2CHRM2SLC6A4OPRD1OPRK1
Bromide SCHEMBL3217532 0.70 DDR1 (0.47) CYP1A2CHRM2SLC6A4OPRD1OPRK1
Hydrochloric Acid SCHEMBL27837634 0.70 KDM4E (0.63) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL13452367 0.69 CYP1A2 (0.51) CYP1A2CHRM2SLC6A4OPRD1OPRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981131-B2 Tricyclic compounds for the treatment of inflammatory disorders Piramal Enterprises Limited (IN) 2015-03-17 US disclosed
US-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Piramal Enterprises Limited (IN) 2011-01-13 US disclosed
WO-2009016565-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2009-02-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS IL1R1, IL1B, IL1A CYP1A2 81/4885CHRM2 80/4885SLC6A4 2979/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.